smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000007651346 204302184 /nfs/dbraw/zinc/30/21/84/204302184.db2.gz MZTOFZJXHMTASE-UHFFFAOYSA-N 1 2 351.406 3.631 50 5 FHBALO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000007651346 204302186 /nfs/dbraw/zinc/30/21/86/204302186.db2.gz MZTOFZJXHMTASE-UHFFFAOYSA-N 1 2 351.406 3.631 50 5 FHBALO Cc1ncc(C[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000040149558 205059818 /nfs/dbraw/zinc/05/98/18/205059818.db2.gz NIDWNJKRFMVFMK-SNVBAGLBSA-N 1 2 359.411 3.603 50 5 FHBALO Cc1ncc(C[N@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000040149558 205059823 /nfs/dbraw/zinc/05/98/23/205059823.db2.gz NIDWNJKRFMVFMK-SNVBAGLBSA-N 1 2 359.411 3.603 50 5 FHBALO O=C(Nc1cccc(Cl)c1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000058147884 205251558 /nfs/dbraw/zinc/25/15/58/205251558.db2.gz WINMIOJMGTVNPM-UHFFFAOYSA-N 1 2 374.828 3.598 50 5 FHBALO COc1ccccc1[C@@H](C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052581323 206222907 /nfs/dbraw/zinc/22/29/07/206222907.db2.gz LWWABSUUOSDLGR-CYBMUJFWSA-N 1 2 368.393 3.846 50 5 FHBALO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052581323 206222911 /nfs/dbraw/zinc/22/29/11/206222911.db2.gz LWWABSUUOSDLGR-CYBMUJFWSA-N 1 2 368.393 3.846 50 5 FHBALO CC[N@H+](CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000007367873 206244417 /nfs/dbraw/zinc/24/44/17/206244417.db2.gz SLXAERGHVCHESE-UHFFFAOYSA-N 1 2 361.829 3.895 50 5 FHBALO CC[N@@H+](CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000007367873 206244422 /nfs/dbraw/zinc/24/44/22/206244422.db2.gz SLXAERGHVCHESE-UHFFFAOYSA-N 1 2 361.829 3.895 50 5 FHBALO CSc1ccc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000000865190 571094022 /nfs/dbraw/zinc/09/40/22/571094022.db2.gz MMPSNKSYGCQWBD-UHFFFAOYSA-N 1 2 357.479 3.635 50 5 FHBALO CC(=O)c1ccc(Nc2ccc([NH+]3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000057923343 136130251 /nfs/dbraw/zinc/13/02/51/136130251.db2.gz FQFSHLAHQGTGDW-UHFFFAOYSA-N 1 2 355.394 3.502 50 5 FHBALO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025931536 571075260 /nfs/dbraw/zinc/07/52/60/571075260.db2.gz FJEFAHXHJATZHF-LBPRGKRZSA-N 1 2 356.357 3.977 50 5 FHBALO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025931536 571075262 /nfs/dbraw/zinc/07/52/62/571075262.db2.gz FJEFAHXHJATZHF-LBPRGKRZSA-N 1 2 356.357 3.977 50 5 FHBALO CC[N@@H+](c1ccc(Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1)C(C)C ZINC000012538915 571176646 /nfs/dbraw/zinc/17/66/46/571176646.db2.gz SKZJZJVCLNPFJY-UHFFFAOYSA-N 1 2 367.409 3.581 50 5 FHBALO CC[N@H+](c1ccc(Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1)C(C)C ZINC000012538915 571176648 /nfs/dbraw/zinc/17/66/48/571176648.db2.gz SKZJZJVCLNPFJY-UHFFFAOYSA-N 1 2 367.409 3.581 50 5 FHBALO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000006602048 204255610 /nfs/dbraw/zinc/25/56/10/204255610.db2.gz NDYHUTGAYSOKJS-GFCCVEGCSA-N 1 2 359.813 3.634 50 5 FHBALO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000006602048 204255613 /nfs/dbraw/zinc/25/56/13/204255613.db2.gz NDYHUTGAYSOKJS-GFCCVEGCSA-N 1 2 359.813 3.634 50 5 FHBALO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000006602047 204256425 /nfs/dbraw/zinc/25/64/25/204256425.db2.gz NDYHUTGAYSOKJS-LBPRGKRZSA-N 1 2 359.813 3.634 50 5 FHBALO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000006602047 204256429 /nfs/dbraw/zinc/25/64/29/204256429.db2.gz NDYHUTGAYSOKJS-LBPRGKRZSA-N 1 2 359.813 3.634 50 5 FHBALO C[N@@H+](Cc1cccc(Cl)c1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048354172 206081807 /nfs/dbraw/zinc/08/18/07/206081807.db2.gz UHOCCSQBWUPQAP-UHFFFAOYSA-N 1 2 357.801 3.596 50 5 FHBALO C[N@H+](Cc1cccc(Cl)c1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048354172 206081814 /nfs/dbraw/zinc/08/18/14/206081814.db2.gz UHOCCSQBWUPQAP-UHFFFAOYSA-N 1 2 357.801 3.596 50 5 FHBALO CCCCN1c2ccccc2[N@@H+](CC(=O)c2cccc([N+](=O)[O-])c2)C1=N ZINC000022146067 571071516 /nfs/dbraw/zinc/07/15/16/571071516.db2.gz ZKUJUOJEPLLMDH-UHFFFAOYSA-N 1 2 352.394 3.513 50 5 FHBALO CCCCN1c2ccccc2[N@H+](CC(=O)c2cccc([N+](=O)[O-])c2)C1=N ZINC000022146067 571071518 /nfs/dbraw/zinc/07/15/18/571071518.db2.gz ZKUJUOJEPLLMDH-UHFFFAOYSA-N 1 2 352.394 3.513 50 5 FHBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000016685381 571212356 /nfs/dbraw/zinc/21/23/56/571212356.db2.gz ZUNKPEVBEFIOPG-OLZOCXBDSA-N 1 2 352.394 3.585 50 5 FHBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000016685381 571212357 /nfs/dbraw/zinc/21/23/57/571212357.db2.gz ZUNKPEVBEFIOPG-OLZOCXBDSA-N 1 2 352.394 3.585 50 5 FHBALO Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000008327131 204327803 /nfs/dbraw/zinc/32/78/03/204327803.db2.gz ROQSBTKWCPTZLS-UHFFFAOYSA-N 1 2 351.406 3.631 50 5 FHBALO Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000008327131 204327808 /nfs/dbraw/zinc/32/78/08/204327808.db2.gz ROQSBTKWCPTZLS-UHFFFAOYSA-N 1 2 351.406 3.631 50 5 FHBALO Cc1nn(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(=S)n1C1CC1 ZINC000057103914 205233444 /nfs/dbraw/zinc/23/34/44/205233444.db2.gz VWBJBPKNEDOYRW-UHFFFAOYSA-N 1 2 361.471 3.834 50 5 FHBALO Cc1nn(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(=S)n1C1CC1 ZINC000057103914 205233449 /nfs/dbraw/zinc/23/34/49/205233449.db2.gz VWBJBPKNEDOYRW-UHFFFAOYSA-N 1 2 361.471 3.834 50 5 FHBALO O=[N+]([O-])c1ccc(Nc2ccn(Cc3cn4ccccc4[nH+]3)n2)c(Cl)c1 ZINC000058265571 205266415 /nfs/dbraw/zinc/26/64/15/205266415.db2.gz VBQQSBHCWZDPBQ-UHFFFAOYSA-N 1 2 368.784 3.884 50 5 FHBALO Nc1[nH+]c2c(c3c4cc(Br)ccc4oc(=O)c13)CCCCC2 ZINC000019015046 206324721 /nfs/dbraw/zinc/32/47/21/206324721.db2.gz OIURTPKXSOEOTR-UHFFFAOYSA-N 1 2 359.223 3.955 50 5 FHBALO COc1ccc(NC(=O)[C@H](c2ccc([N+](=O)[O-])cc2)[NH+]2CCCCC2)cc1 ZINC000075251866 571158341 /nfs/dbraw/zinc/15/83/41/571158341.db2.gz ACJNRSVFMXJSPI-IBGZPJMESA-N 1 2 369.421 3.769 50 5 FHBALO CC[N@H+](CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000023198214 571226975 /nfs/dbraw/zinc/22/69/75/571226975.db2.gz IPIQIQUXXWMLLI-OUKQBFOZSA-N 1 2 353.422 3.641 50 5 FHBALO CC[N@@H+](CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000023198214 571226976 /nfs/dbraw/zinc/22/69/76/571226976.db2.gz IPIQIQUXXWMLLI-OUKQBFOZSA-N 1 2 353.422 3.641 50 5 FHBALO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000055543122 136126962 /nfs/dbraw/zinc/12/69/62/136126962.db2.gz GNXSUADCBVPQLJ-UHFFFAOYSA-N 1 2 365.355 3.936 50 5 FHBALO O=[N+]([O-])c1ccc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000025713094 571046333 /nfs/dbraw/zinc/04/63/33/571046333.db2.gz JBTAOCCPBWKPRX-UHFFFAOYSA-N 1 2 367.365 3.763 50 5 FHBALO O=[N+]([O-])c1cccc(-c2ccc(SCc3cn4ccccc4[nH+]3)nn2)c1 ZINC000036652408 204382040 /nfs/dbraw/zinc/38/20/40/204382040.db2.gz QBYIALSMPVLGRC-UHFFFAOYSA-N 1 2 363.402 3.992 50 5 FHBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1C ZINC000007789269 206209891 /nfs/dbraw/zinc/20/98/91/206209891.db2.gz GNYFFVFTDMNOFI-UHFFFAOYSA-N 1 2 371.412 3.954 50 5 FHBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1C ZINC000007789269 206209896 /nfs/dbraw/zinc/20/98/96/206209896.db2.gz GNYFFVFTDMNOFI-UHFFFAOYSA-N 1 2 371.412 3.954 50 5 FHBALO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000003879786 132385910 /nfs/dbraw/zinc/38/59/10/132385910.db2.gz XKGSJZNTSDZQPH-UHFFFAOYSA-N 1 2 355.316 3.529 50 5 FHBALO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH+]c2cc(F)ccc12 ZINC000004982318 570571916 /nfs/dbraw/zinc/57/19/16/570571916.db2.gz BFGRNPMHSSRXLJ-UHFFFAOYSA-N 1 2 366.396 3.917 50 5 FHBALO Cc1c(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cccc1[N+](=O)[O-] ZINC000012916363 571144448 /nfs/dbraw/zinc/14/44/48/571144448.db2.gz NNXQMAIEAAZHJJ-LBPRGKRZSA-N 1 2 374.466 3.844 50 5 FHBALO Cc1c(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cccc1[N+](=O)[O-] ZINC000012916363 571144449 /nfs/dbraw/zinc/14/44/49/571144449.db2.gz NNXQMAIEAAZHJJ-LBPRGKRZSA-N 1 2 374.466 3.844 50 5 FHBALO CN(Cc1ccc(N)[nH+]c1)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000097162102 571205558 /nfs/dbraw/zinc/20/55/58/571205558.db2.gz ZFJMIOVSDUZFDU-UHFFFAOYSA-N 1 2 360.723 3.881 50 5 FHBALO CSc1ccc(C[N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000029499328 571342566 /nfs/dbraw/zinc/34/25/66/571342566.db2.gz PHVKIPGFOLOZAZ-UHFFFAOYSA-N 1 2 369.450 3.665 50 5 FHBALO CSc1ccc(C[N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000029499328 571342567 /nfs/dbraw/zinc/34/25/67/571342567.db2.gz PHVKIPGFOLOZAZ-UHFFFAOYSA-N 1 2 369.450 3.665 50 5 FHBALO O=C(Nc1cc(C(F)(F)F)ccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])o1 ZINC000005072612 204190257 /nfs/dbraw/zinc/19/02/57/204190257.db2.gz FRZYNYNUTWMJJH-UHFFFAOYSA-N 1 2 366.255 3.645 50 5 FHBALO Cc1ncc(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000040149557 205059868 /nfs/dbraw/zinc/05/98/68/205059868.db2.gz NIDWNJKRFMVFMK-JTQLQIEISA-N 1 2 359.411 3.603 50 5 FHBALO Cc1ncc(C[N@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000040149557 205059869 /nfs/dbraw/zinc/05/98/69/205059869.db2.gz NIDWNJKRFMVFMK-JTQLQIEISA-N 1 2 359.411 3.603 50 5 FHBALO CC(C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cccnc2)no1 ZINC000069170091 571090853 /nfs/dbraw/zinc/09/08/53/571090853.db2.gz YAVAWGVNUQOSFL-MRXNPFEDSA-N 1 2 353.382 3.527 50 5 FHBALO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000089587559 571212994 /nfs/dbraw/zinc/21/29/94/571212994.db2.gz IJQRJTUETXJYEM-HNNXBMFYSA-N 1 2 371.412 3.561 50 5 FHBALO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000093342052 571326382 /nfs/dbraw/zinc/32/63/82/571326382.db2.gz UKJVOAQGJXZSIV-UHFFFAOYSA-N 1 2 356.422 3.729 50 5 FHBALO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000093342052 571326383 /nfs/dbraw/zinc/32/63/83/571326383.db2.gz UKJVOAQGJXZSIV-UHFFFAOYSA-N 1 2 356.422 3.729 50 5 FHBALO O=C(C[C@H](n1cc[nH+]c1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000002367011 204036775 /nfs/dbraw/zinc/03/67/75/204036775.db2.gz OJWNZZKHUHBIDN-LBPRGKRZSA-N 1 2 362.600 3.976 50 5 FHBALO Cc1c(NC(=O)C[N@H+]2CC=C(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000008327270 204328028 /nfs/dbraw/zinc/32/80/28/204328028.db2.gz JGNSIMCBGDQZNZ-UHFFFAOYSA-N 1 2 351.406 3.631 50 5 FHBALO Cc1c(NC(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000008327270 204328032 /nfs/dbraw/zinc/32/80/32/204328032.db2.gz JGNSIMCBGDQZNZ-UHFFFAOYSA-N 1 2 351.406 3.631 50 5 FHBALO O=C(NCc1cccc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000084598466 526728939 /nfs/dbraw/zinc/72/89/39/526728939.db2.gz IPLANMKVBNRYMY-UHFFFAOYSA-N 1 2 372.384 3.864 50 5 FHBALO O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000025426337 571145922 /nfs/dbraw/zinc/14/59/22/571145922.db2.gz UFXSJJPFLXUQGK-QGZVFWFLSA-N 1 2 362.389 3.588 50 5 FHBALO COc1ccccc1[C@H](C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052581321 571146725 /nfs/dbraw/zinc/14/67/25/571146725.db2.gz LWWABSUUOSDLGR-ZDUSSCGKSA-N 1 2 368.393 3.846 50 5 FHBALO COc1ccccc1[C@H](C)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052581321 571146727 /nfs/dbraw/zinc/14/67/27/571146727.db2.gz LWWABSUUOSDLGR-ZDUSSCGKSA-N 1 2 368.393 3.846 50 5 FHBALO C[C@H](Sc1nc2ccccc2c2[nH+]c3ccccc3n21)C(=O)NC1CC1 ZINC000004246572 207009285 /nfs/dbraw/zinc/00/92/85/207009285.db2.gz KHMNXKRVXSRRFE-LBPRGKRZSA-N 1 2 362.458 3.795 50 5 FHBALO O=C(c1ccccc1)c1ccc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000005267023 207090923 /nfs/dbraw/zinc/09/09/23/207090923.db2.gz HVLBFDSAAJQSIF-UHFFFAOYSA-N 1 2 350.378 3.525 50 5 FHBALO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000055062912 136125897 /nfs/dbraw/zinc/12/58/97/136125897.db2.gz LPVCFPLUVQZBOK-UHFFFAOYSA-N 1 2 365.355 3.936 50 5 FHBALO Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc4c(c3)OCO4)[nH+]c12 ZINC000000819504 568298738 /nfs/dbraw/zinc/29/87/38/568298738.db2.gz MGFXTJLVIQVUTO-UHFFFAOYSA-N 1 2 362.345 3.644 50 5 FHBALO C[N@H+](Cc1cccc(Cl)c1Cl)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000024574343 570859711 /nfs/dbraw/zinc/85/97/11/570859711.db2.gz MLLMZQIANFQCQC-UHFFFAOYSA-N 1 2 368.220 3.633 50 5 FHBALO C[N@@H+](Cc1cccc(Cl)c1Cl)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000024574343 570859712 /nfs/dbraw/zinc/85/97/12/570859712.db2.gz MLLMZQIANFQCQC-UHFFFAOYSA-N 1 2 368.220 3.633 50 5 FHBALO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(F)c1 ZINC000025926255 571073697 /nfs/dbraw/zinc/07/36/97/571073697.db2.gz MHSIMVHIDPXUGG-UHFFFAOYSA-N 1 2 356.357 3.806 50 5 FHBALO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(F)c1 ZINC000025926255 571073700 /nfs/dbraw/zinc/07/37/00/571073700.db2.gz MHSIMVHIDPXUGG-UHFFFAOYSA-N 1 2 356.357 3.806 50 5 FHBALO CSc1ccc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000000865271 571094279 /nfs/dbraw/zinc/09/42/79/571094279.db2.gz CKPUPLKCQZOBHK-UHFFFAOYSA-N 1 2 357.479 3.635 50 5 FHBALO Cc1cccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1[N+](=O)[O-] ZINC000022238164 571336403 /nfs/dbraw/zinc/33/64/03/571336403.db2.gz AXBAEQSBQNRGPL-UHFFFAOYSA-N 1 2 360.439 3.598 50 5 FHBALO O=C(C[C@@H](n1cc[nH+]c1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000013618798 220079473 /nfs/dbraw/zinc/07/94/73/220079473.db2.gz OJWNZZKHUHBIDN-GFCCVEGCSA-N 1 2 362.600 3.976 50 5 FHBALO C[N@@H+]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1 ZINC000015880100 571140769 /nfs/dbraw/zinc/14/07/69/571140769.db2.gz NGGMGALMXMWYJF-UHFFFAOYSA-N 1 2 374.447 3.506 50 5 FHBALO C[N@H+]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1 ZINC000015880100 571140770 /nfs/dbraw/zinc/14/07/70/571140770.db2.gz NGGMGALMXMWYJF-UHFFFAOYSA-N 1 2 374.447 3.506 50 5 FHBALO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000020405004 571329280 /nfs/dbraw/zinc/32/92/80/571329280.db2.gz JZRMQNWNCVZXKE-UHFFFAOYSA-N 1 2 354.435 3.527 50 5 FHBALO CC[N@H+](CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000096943931 209163681 /nfs/dbraw/zinc/16/36/81/209163681.db2.gz FUFMYYOBVVRQER-YPKPFQOOSA-N 1 2 353.422 3.641 50 5 FHBALO CC[N@@H+](CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000096943931 209163684 /nfs/dbraw/zinc/16/36/84/209163684.db2.gz FUFMYYOBVVRQER-YPKPFQOOSA-N 1 2 353.422 3.641 50 5 FHBALO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000006085189 207128144 /nfs/dbraw/zinc/12/81/44/207128144.db2.gz VNUCTCJNKVXKSP-UHFFFAOYSA-N 1 2 371.824 3.976 50 5 FHBALO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000006085189 207128147 /nfs/dbraw/zinc/12/81/47/207128147.db2.gz VNUCTCJNKVXKSP-UHFFFAOYSA-N 1 2 371.824 3.976 50 5 FHBALO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000048236482 208391843 /nfs/dbraw/zinc/39/18/43/208391843.db2.gz BDTCHDSTAXMXLU-LRDDRELGSA-N 1 2 368.393 3.993 50 5 FHBALO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000048236482 208391851 /nfs/dbraw/zinc/39/18/51/208391851.db2.gz BDTCHDSTAXMXLU-LRDDRELGSA-N 1 2 368.393 3.993 50 5 FHBALO CC(=O)c1ccc(N2CC[NH+](CC=Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000004923879 570561056 /nfs/dbraw/zinc/56/10/56/570561056.db2.gz PJRQNLBTCAGURK-GQCTYLIASA-N 1 2 365.433 3.633 50 5 FHBALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000009167210 207260150 /nfs/dbraw/zinc/26/01/50/207260150.db2.gz YMZFBFQJEKZKDO-UHFFFAOYSA-N 1 2 350.378 3.923 50 5 FHBALO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000048236484 208391620 /nfs/dbraw/zinc/39/16/20/208391620.db2.gz BDTCHDSTAXMXLU-MLGOLLRUSA-N 1 2 368.393 3.993 50 5 FHBALO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000048236484 208391625 /nfs/dbraw/zinc/39/16/25/208391625.db2.gz BDTCHDSTAXMXLU-MLGOLLRUSA-N 1 2 368.393 3.993 50 5 FHBALO NC(=O)CCCCSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000065723676 208690841 /nfs/dbraw/zinc/69/08/41/208690841.db2.gz AQXCVAABLRSXCO-UHFFFAOYSA-N 1 2 350.447 3.783 50 5 FHBALO CC[N@H+](CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000040046864 571069389 /nfs/dbraw/zinc/06/93/89/571069389.db2.gz IPAWTNNDQLDCHB-SDNWHVSQSA-N 1 2 353.422 3.641 50 5 FHBALO CC[N@@H+](CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000040046864 571069391 /nfs/dbraw/zinc/06/93/91/571069391.db2.gz IPAWTNNDQLDCHB-SDNWHVSQSA-N 1 2 353.422 3.641 50 5 FHBALO Cc1cc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000072313930 136144300 /nfs/dbraw/zinc/14/43/00/136144300.db2.gz ZSXUHJZCPYJCCD-MRXNPFEDSA-N 1 2 364.409 3.815 50 5 FHBALO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1F ZINC000057554002 571344516 /nfs/dbraw/zinc/34/45/16/571344516.db2.gz VREURNHZXBLSMY-JTQLQIEISA-N 1 2 350.321 3.590 50 5 FHBALO Cc1ccc(NC(=O)Cn2c[nH+]cc2-c2ccc([N+](=O)[O-])cc2)cc1C ZINC000001114385 219372438 /nfs/dbraw/zinc/37/24/38/219372438.db2.gz UURVDVLIZLQZSU-UHFFFAOYSA-N 1 2 350.378 3.714 50 5 FHBALO Cc1cc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])cc1C ZINC000007788467 207207165 /nfs/dbraw/zinc/20/71/65/207207165.db2.gz HBEQSTPZRIJWQG-UHFFFAOYSA-N 1 2 371.412 3.954 50 5 FHBALO Cc1cc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])cc1C ZINC000007788467 207207170 /nfs/dbraw/zinc/20/71/70/207207170.db2.gz HBEQSTPZRIJWQG-UHFFFAOYSA-N 1 2 371.412 3.954 50 5 FHBALO C[C@@H](c1ccccn1)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000089909911 526115609 /nfs/dbraw/zinc/11/56/09/526115609.db2.gz IVJAAVXJRVITIJ-ZDUSSCGKSA-N 1 2 365.393 3.765 50 5 FHBALO C[C@@H](c1ccccn1)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000089909911 526115612 /nfs/dbraw/zinc/11/56/12/526115612.db2.gz IVJAAVXJRVITIJ-ZDUSSCGKSA-N 1 2 365.393 3.765 50 5 FHBALO Cc1c(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000012775012 571093823 /nfs/dbraw/zinc/09/38/23/571093823.db2.gz URIZNBFBYXRDOH-CQSZACIVSA-N 1 2 350.378 3.580 50 5 FHBALO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000012928871 571146402 /nfs/dbraw/zinc/14/64/02/571146402.db2.gz RPFOTCBIWIJCFG-LBPRGKRZSA-N 1 2 363.364 3.813 50 5 FHBALO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000012928871 571146406 /nfs/dbraw/zinc/14/64/06/571146406.db2.gz RPFOTCBIWIJCFG-LBPRGKRZSA-N 1 2 363.364 3.813 50 5 FHBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000016419951 571186323 /nfs/dbraw/zinc/18/63/23/571186323.db2.gz SKJIQOUNUXWLKI-GFCCVEGCSA-N 1 2 356.357 3.977 50 5 FHBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000016419951 571186324 /nfs/dbraw/zinc/18/63/24/571186324.db2.gz SKJIQOUNUXWLKI-GFCCVEGCSA-N 1 2 356.357 3.977 50 5 FHBALO CC(=O)c1ccc(N[C@@H](c2[nH+]ccn2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000012575815 207395951 /nfs/dbraw/zinc/39/59/51/207395951.db2.gz MULKKXSMOFDTPF-GOSISDBHSA-N 1 2 350.378 3.732 50 5 FHBALO CC12CN3CC(C)(C[NH+](C1)C3c1cc3cc4ccccc4cc3[nH]c1=O)C2 ZINC000095474657 209056867 /nfs/dbraw/zinc/05/68/67/209056867.db2.gz LWFADWXAAJBKOY-UHFFFAOYSA-N 1 2 359.473 3.727 50 5 FHBALO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1nc(C2CC2)n(C)c1=S ZINC000057103926 571342375 /nfs/dbraw/zinc/34/23/75/571342375.db2.gz ITAMLBGNPKNIQJ-UHFFFAOYSA-N 1 2 361.471 3.605 50 5 FHBALO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1nc(C2CC2)n(C)c1=S ZINC000057103926 571342376 /nfs/dbraw/zinc/34/23/76/571342376.db2.gz ITAMLBGNPKNIQJ-UHFFFAOYSA-N 1 2 361.471 3.605 50 5 FHBALO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000012928864 211008534 /nfs/dbraw/zinc/00/85/34/211008534.db2.gz RPFOTCBIWIJCFG-GFCCVEGCSA-N 1 2 363.364 3.813 50 5 FHBALO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000012928864 211008538 /nfs/dbraw/zinc/00/85/38/211008538.db2.gz RPFOTCBIWIJCFG-GFCCVEGCSA-N 1 2 363.364 3.813 50 5 FHBALO O=[N+]([O-])c1cc(Cl)cc(/C=C/c2ccc(C[NH+]3CCOCC3)cc2)c1O ZINC000067321407 221252023 /nfs/dbraw/zinc/25/20/23/221252023.db2.gz OUGVBSWRVCIRGV-AATRIKPKSA-N 1 2 374.824 3.956 50 5 FHBALO COc1cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc([N+](=O)[O-])c1O ZINC000004984003 570571450 /nfs/dbraw/zinc/57/14/50/570571450.db2.gz LAESYAYBPHLROH-UHFFFAOYSA-N 1 2 366.417 3.870 50 5 FHBALO COc1ccccc1[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000058163086 221102005 /nfs/dbraw/zinc/10/20/05/221102005.db2.gz BGTUKISDQUKZKH-CQSZACIVSA-N 1 2 357.410 3.543 50 5 FHBALO COc1ccccc1[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000058163086 221102006 /nfs/dbraw/zinc/10/20/06/221102006.db2.gz BGTUKISDQUKZKH-CQSZACIVSA-N 1 2 357.410 3.543 50 5 FHBALO Cc1cc(N2CCCC[C@H]2c2[nH]cc[nH+]2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000072313931 136144276 /nfs/dbraw/zinc/14/42/76/136144276.db2.gz ZSXUHJZCPYJCCD-INIZCTEOSA-N 1 2 364.409 3.815 50 5 FHBALO Cc1cc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)nc(C(C)C)n1 ZINC000009690073 571117153 /nfs/dbraw/zinc/11/71/53/571117153.db2.gz DPFPPBSNDIEIED-INIZCTEOSA-N 1 2 369.469 3.700 50 5 FHBALO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000012554406 571180449 /nfs/dbraw/zinc/18/04/49/571180449.db2.gz IOHCIFDEYIHLDD-UHFFFAOYSA-N 1 2 364.405 3.572 50 5 FHBALO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000089587562 571212981 /nfs/dbraw/zinc/21/29/81/571212981.db2.gz IJQRJTUETXJYEM-OAHLLOKOSA-N 1 2 371.412 3.561 50 5 FHBALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000230085502 571343376 /nfs/dbraw/zinc/34/33/76/571343376.db2.gz ZUNKPEVBEFIOPG-QWHCGFSZSA-N 1 2 352.394 3.585 50 5 FHBALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000230085502 571343377 /nfs/dbraw/zinc/34/33/77/571343377.db2.gz ZUNKPEVBEFIOPG-QWHCGFSZSA-N 1 2 352.394 3.585 50 5 FHBALO C[C@@H](Sc1nc2ccccc2c2[nH+]c3ccccc3n21)C(=O)NC1CC1 ZINC000004246573 571357151 /nfs/dbraw/zinc/35/71/51/571357151.db2.gz KHMNXKRVXSRRFE-GFCCVEGCSA-N 1 2 362.458 3.795 50 5 FHBALO COc1ccccc1[C@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000058163085 221101974 /nfs/dbraw/zinc/10/19/74/221101974.db2.gz BGTUKISDQUKZKH-AWEZNQCLSA-N 1 2 357.410 3.543 50 5 FHBALO COc1ccccc1[C@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000058163085 221101976 /nfs/dbraw/zinc/10/19/76/221101976.db2.gz BGTUKISDQUKZKH-AWEZNQCLSA-N 1 2 357.410 3.543 50 5 FHBALO O=[N+]([O-])c1cc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)ccc1O ZINC000247324501 527329244 /nfs/dbraw/zinc/32/92/44/527329244.db2.gz NBBNVPBSDZBGFS-PXNSSMCTSA-N 1 2 359.470 3.529 50 5 FHBALO O=[N+]([O-])c1cc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)ccc1O ZINC000247324501 527329246 /nfs/dbraw/zinc/32/92/46/527329246.db2.gz NBBNVPBSDZBGFS-PXNSSMCTSA-N 1 2 359.470 3.529 50 5 FHBALO O=[N+]([O-])c1cc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)ccc1O ZINC000247324485 527329509 /nfs/dbraw/zinc/32/95/09/527329509.db2.gz NBBNVPBSDZBGFS-FXAWDEMLSA-N 1 2 359.470 3.529 50 5 FHBALO O=[N+]([O-])c1cc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)ccc1O ZINC000247324485 527329514 /nfs/dbraw/zinc/32/95/14/527329514.db2.gz NBBNVPBSDZBGFS-FXAWDEMLSA-N 1 2 359.470 3.529 50 5 FHBALO CCCCN1c2ccccc2[N@@H+](CC(=O)c2ccc([N+](=O)[O-])cc2)C1=N ZINC000019855187 211260685 /nfs/dbraw/zinc/26/06/85/211260685.db2.gz PKAWZDKTBOFAKM-UHFFFAOYSA-N 1 2 352.394 3.513 50 5 FHBALO CCCCN1c2ccccc2[N@H+](CC(=O)c2ccc([N+](=O)[O-])cc2)C1=N ZINC000019855187 211260691 /nfs/dbraw/zinc/26/06/91/211260691.db2.gz PKAWZDKTBOFAKM-UHFFFAOYSA-N 1 2 352.394 3.513 50 5 FHBALO CCCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711561 571194135 /nfs/dbraw/zinc/19/41/35/571194135.db2.gz CBRCRVGPWIRJBX-MRXNPFEDSA-N 1 2 369.421 3.727 50 5 FHBALO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCOc3ccccc3[N+](=O)[O-])nc2c1 ZINC000253431862 571316472 /nfs/dbraw/zinc/31/64/72/571316472.db2.gz XVLQOPBGGMCENO-SFHVURJKSA-N 1 2 366.421 3.995 50 5 FHBALO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCOc3ccccc3[N+](=O)[O-])nc2c1 ZINC000253431862 571316473 /nfs/dbraw/zinc/31/64/73/571316473.db2.gz XVLQOPBGGMCENO-SFHVURJKSA-N 1 2 366.421 3.995 50 5 FHBALO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CCOc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000253431862 571316474 /nfs/dbraw/zinc/31/64/74/571316474.db2.gz XVLQOPBGGMCENO-SFHVURJKSA-N 1 2 366.421 3.995 50 5 FHBALO Cc1ccc2nc([C@@H]3CCC[N@H+]3CCOc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000253431862 571316475 /nfs/dbraw/zinc/31/64/75/571316475.db2.gz XVLQOPBGGMCENO-SFHVURJKSA-N 1 2 366.421 3.995 50 5 FHBALO CSc1ccc(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000002760495 571340815 /nfs/dbraw/zinc/34/08/15/571340815.db2.gz PBQGEIUWSBTDQG-UHFFFAOYSA-N 1 2 357.479 3.635 50 5 FHBALO CSc1ccc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000002760495 571340816 /nfs/dbraw/zinc/34/08/16/571340816.db2.gz PBQGEIUWSBTDQG-UHFFFAOYSA-N 1 2 357.479 3.635 50 5 FHBALO Cc1ccc([N+](=O)[O-])c(OCCOCCn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000002880189 571341418 /nfs/dbraw/zinc/34/14/18/571341418.db2.gz MKTSNNAULAKPOD-UHFFFAOYSA-N 1 2 369.421 3.965 50 5 FHBALO COc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1O ZINC000003109311 571344688 /nfs/dbraw/zinc/34/46/88/571344688.db2.gz ZZUFZIBKYNMSCN-UHFFFAOYSA-N 1 2 356.422 3.764 50 5 FHBALO O=C(CSc1nc2ccccc2c2[nH+]c3ccccc3n21)N1CCCC1 ZINC000003257152 571346223 /nfs/dbraw/zinc/34/62/23/571346223.db2.gz VCLKRSSFOPOQNS-UHFFFAOYSA-N 1 2 362.458 3.750 50 5 FHBALO Cn1c(-c2ccc3c(c2)OCO3)cn2cc(-c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000000819537 210275693 /nfs/dbraw/zinc/27/56/93/210275693.db2.gz DHPLXMNMVVLCJG-UHFFFAOYSA-N 1 2 362.345 3.644 50 5 FHBALO CC(=O)c1ccc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c(F)c1 ZINC000015041301 132876331 /nfs/dbraw/zinc/87/63/31/132876331.db2.gz DKTRIFDDAXYHEA-CQSZACIVSA-N 1 2 371.412 3.820 50 5 FHBALO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000055543780 136127003 /nfs/dbraw/zinc/12/70/03/136127003.db2.gz QYGCVZZOHWULMS-UHFFFAOYSA-N 1 2 371.384 3.997 50 5 FHBALO CC[N@H+](CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000025466792 263388411 /nfs/dbraw/zinc/38/84/11/263388411.db2.gz FUFMYYOBVVRQER-BUHFOSPRSA-N 1 2 353.422 3.641 50 5 FHBALO CC[N@@H+](CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000025466792 263388414 /nfs/dbraw/zinc/38/84/14/263388414.db2.gz FUFMYYOBVVRQER-BUHFOSPRSA-N 1 2 353.422 3.641 50 5 FHBALO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000048236479 570937885 /nfs/dbraw/zinc/93/78/85/570937885.db2.gz BDTCHDSTAXMXLU-WBMJQRKESA-N 1 2 368.393 3.993 50 5 FHBALO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000048236479 570937888 /nfs/dbraw/zinc/93/78/88/570937888.db2.gz BDTCHDSTAXMXLU-WBMJQRKESA-N 1 2 368.393 3.993 50 5 FHBALO Cc1cc(NC(=O)C[N@H+]2CC=C(c3ccccc3)CC2)c([N+](=O)[O-])cc1C ZINC000007651318 571285296 /nfs/dbraw/zinc/28/52/96/571285296.db2.gz KATDPHLLQYEQOI-UHFFFAOYSA-N 1 2 365.433 3.939 50 5 FHBALO Cc1cc(NC(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)c([N+](=O)[O-])cc1C ZINC000007651318 571285297 /nfs/dbraw/zinc/28/52/97/571285297.db2.gz KATDPHLLQYEQOI-UHFFFAOYSA-N 1 2 365.433 3.939 50 5 FHBALO CC(C)(C)Nc1nc(Nc2cccc([N+](=O)[O-])c2)nc(NC(C)(C)C)[nH+]1 ZINC000000755200 210267787 /nfs/dbraw/zinc/26/77/87/210267787.db2.gz IYRQGZCLODFREK-UHFFFAOYSA-N 1 2 359.434 3.944 50 5 FHBALO Cc1c(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000012775016 220028263 /nfs/dbraw/zinc/02/82/63/220028263.db2.gz URIZNBFBYXRDOH-AWEZNQCLSA-N 1 2 350.378 3.580 50 5 FHBALO COc1cccc(N2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)c1 ZINC000055291819 136126458 /nfs/dbraw/zinc/12/64/58/136126458.db2.gz YMPLMWOHEOESDR-UHFFFAOYSA-N 1 2 361.829 3.579 50 5 FHBALO O=C(CC[NH+]1CCN(c2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000058445959 136131791 /nfs/dbraw/zinc/13/17/91/136131791.db2.gz PPHNPXNBZCYMOU-UHFFFAOYSA-N 1 2 373.840 3.643 50 5 FHBALO C[NH+](C)c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)cc1 ZINC000005129074 570587321 /nfs/dbraw/zinc/58/73/21/570587321.db2.gz XGCAOKDMVHOVHZ-UHFFFAOYSA-N 1 2 353.338 3.861 50 5 FHBALO C[N@@H+](Cc1ccc(Cl)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048343102 570948714 /nfs/dbraw/zinc/94/87/14/570948714.db2.gz VRHFJDLVYPMXQU-UHFFFAOYSA-N 1 2 357.801 3.596 50 5 FHBALO C[N@H+](Cc1ccc(Cl)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048343102 570948720 /nfs/dbraw/zinc/94/87/20/570948720.db2.gz VRHFJDLVYPMXQU-UHFFFAOYSA-N 1 2 357.801 3.596 50 5 FHBALO O=Cc1ccc(N2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000009219792 571101591 /nfs/dbraw/zinc/10/15/91/571101591.db2.gz KIABCWDTZNPYSK-CQSZACIVSA-N 1 2 350.378 3.668 50 5 FHBALO Cc1cc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)nc(C(C)C)n1 ZINC000009690074 571117110 /nfs/dbraw/zinc/11/71/10/571117110.db2.gz DPFPPBSNDIEIED-MRXNPFEDSA-N 1 2 369.469 3.700 50 5 FHBALO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000007651333 571285324 /nfs/dbraw/zinc/28/53/24/571285324.db2.gz DYJSNIXSWNSIII-UHFFFAOYSA-N 1 2 371.824 3.976 50 5 FHBALO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000007651333 571285326 /nfs/dbraw/zinc/28/53/26/571285326.db2.gz DYJSNIXSWNSIII-UHFFFAOYSA-N 1 2 371.824 3.976 50 5 FHBALO O=[N+]([O-])c1cc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)ccc1O ZINC000016677787 211166056 /nfs/dbraw/zinc/16/60/56/211166056.db2.gz NBBNVPBSDZBGFS-XLIONFOSSA-N 1 2 359.470 3.529 50 5 FHBALO O=[N+]([O-])c1cc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)ccc1O ZINC000016677787 211166058 /nfs/dbraw/zinc/16/60/58/211166058.db2.gz NBBNVPBSDZBGFS-XLIONFOSSA-N 1 2 359.470 3.529 50 5 FHBALO CC(=O)c1ccc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c(F)c1 ZINC000015041304 132876338 /nfs/dbraw/zinc/87/63/38/132876338.db2.gz DKTRIFDDAXYHEA-AWEZNQCLSA-N 1 2 371.412 3.820 50 5 FHBALO Cc1cccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000012793487 570762173 /nfs/dbraw/zinc/76/21/73/570762173.db2.gz YEVYKWFAIBLHRT-LBPRGKRZSA-N 1 2 374.466 3.844 50 5 FHBALO Cc1cccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000012793487 570762175 /nfs/dbraw/zinc/76/21/75/570762175.db2.gz YEVYKWFAIBLHRT-LBPRGKRZSA-N 1 2 374.466 3.844 50 5 FHBALO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](Cc3ccccc3)C3CC3)n2)c1 ZINC000032825270 570816548 /nfs/dbraw/zinc/81/65/48/570816548.db2.gz IRSRNUHCZBWGLT-UHFFFAOYSA-N 1 2 350.378 3.809 50 5 FHBALO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](Cc3ccccc3)C3CC3)n2)c1 ZINC000032825270 570816551 /nfs/dbraw/zinc/81/65/51/570816551.db2.gz IRSRNUHCZBWGLT-UHFFFAOYSA-N 1 2 350.378 3.809 50 5 FHBALO C[C@H]1C[C@H]1c1ccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000048236487 570937902 /nfs/dbraw/zinc/93/79/02/570937902.db2.gz BDTCHDSTAXMXLU-BLLLJJGKSA-N 1 2 368.393 3.993 50 5 FHBALO C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000048236487 570937906 /nfs/dbraw/zinc/93/79/06/570937906.db2.gz BDTCHDSTAXMXLU-BLLLJJGKSA-N 1 2 368.393 3.993 50 5 FHBALO Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000004678256 571158270 /nfs/dbraw/zinc/15/82/70/571158270.db2.gz WBRRIMLAVUUATP-UHFFFAOYSA-N 1 2 363.333 3.823 50 5 FHBALO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000012632780 571322559 /nfs/dbraw/zinc/32/25/59/571322559.db2.gz NDJIOYNWEQYMBU-UHFFFAOYSA-N 1 2 364.405 3.572 50 5 FHBALO O=C(Nc1cccc2cccnc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032041701 211540973 /nfs/dbraw/zinc/54/09/73/211540973.db2.gz DIMUYRVCEPYWDK-UHFFFAOYSA-N 1 2 359.345 3.581 50 5 FHBALO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000020352790 211276955 /nfs/dbraw/zinc/27/69/55/211276955.db2.gz KGBVZTNTIYHVOT-UHFFFAOYSA-N 1 2 373.840 3.515 50 5 FHBALO COc1ccccc1N1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000055543957 136127076 /nfs/dbraw/zinc/12/70/76/136127076.db2.gz DVQAETAAGAOFIB-UHFFFAOYSA-N 1 2 361.829 3.579 50 5 FHBALO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000057449515 136129312 /nfs/dbraw/zinc/12/93/12/136129312.db2.gz UQVVTMLGONPDGU-UHFFFAOYSA-N 1 2 364.405 3.572 50 5 FHBALO Cc1cc(NC[C@@H]2Cc3ccccc3O2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000048265654 570939536 /nfs/dbraw/zinc/93/95/36/570939536.db2.gz PNQOAYUPNPBRMF-KRWDZBQOSA-N 1 2 362.389 3.776 50 5 FHBALO CC(=O)c1ccc(N[C@H](c2[nH+]ccn2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000012575807 571185184 /nfs/dbraw/zinc/18/51/84/571185184.db2.gz MULKKXSMOFDTPF-SFHVURJKSA-N 1 2 350.378 3.732 50 5 FHBALO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCOc3ccccc3[N+](=O)[O-])nc2c1 ZINC000253431855 571316428 /nfs/dbraw/zinc/31/64/28/571316428.db2.gz XVLQOPBGGMCENO-GOSISDBHSA-N 1 2 366.421 3.995 50 5 FHBALO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCOc3ccccc3[N+](=O)[O-])nc2c1 ZINC000253431855 571316430 /nfs/dbraw/zinc/31/64/30/571316430.db2.gz XVLQOPBGGMCENO-GOSISDBHSA-N 1 2 366.421 3.995 50 5 FHBALO Cc1ccc2nc([C@H]3CCC[N@@H+]3CCOc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000253431855 571316431 /nfs/dbraw/zinc/31/64/31/571316431.db2.gz XVLQOPBGGMCENO-GOSISDBHSA-N 1 2 366.421 3.995 50 5 FHBALO Cc1ccc2nc([C@H]3CCC[N@H+]3CCOc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000253431855 571316432 /nfs/dbraw/zinc/31/64/32/571316432.db2.gz XVLQOPBGGMCENO-GOSISDBHSA-N 1 2 366.421 3.995 50 5 FHBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000016419952 220183522 /nfs/dbraw/zinc/18/35/22/220183522.db2.gz SKJIQOUNUXWLKI-LBPRGKRZSA-N 1 2 356.357 3.977 50 5 FHBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000016419952 220183524 /nfs/dbraw/zinc/18/35/24/220183524.db2.gz SKJIQOUNUXWLKI-LBPRGKRZSA-N 1 2 356.357 3.977 50 5 FHBALO O=[N+]([O-])c1c(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)nc2sccn21 ZINC000022318153 220382447 /nfs/dbraw/zinc/38/24/47/220382447.db2.gz RPHDLQGLVOZPQJ-UHFFFAOYSA-N 1 2 368.422 3.564 50 5 FHBALO Cc1cc(NC[C@H]2Cc3ccccc3O2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000048265656 221004142 /nfs/dbraw/zinc/00/41/42/221004142.db2.gz PNQOAYUPNPBRMF-QGZVFWFLSA-N 1 2 362.389 3.776 50 5 FHBALO CC(C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cccnc2)no1 ZINC000069170090 221321133 /nfs/dbraw/zinc/32/11/33/221321133.db2.gz YAVAWGVNUQOSFL-INIZCTEOSA-N 1 2 353.382 3.527 50 5 FHBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000105888980 222378447 /nfs/dbraw/zinc/37/84/47/222378447.db2.gz ZUNKPEVBEFIOPG-CHWSQXEVSA-N 1 2 352.394 3.585 50 5 FHBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000105888980 222378457 /nfs/dbraw/zinc/37/84/57/222378457.db2.gz ZUNKPEVBEFIOPG-CHWSQXEVSA-N 1 2 352.394 3.585 50 5 FHBALO CC(=O)Nc1nnc2nc3c4ccccc4[nH][nH+]c3c(-c3ccc(C)cc3)c21 ZINC000034573165 570856463 /nfs/dbraw/zinc/85/64/63/570856463.db2.gz NUAMOVQXKHWMGC-UHFFFAOYSA-N 1 2 368.400 3.988 50 5 FHBALO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000095443286 571329703 /nfs/dbraw/zinc/32/97/03/571329703.db2.gz DDPAWBKHOAAMGH-UHFFFAOYSA-N 1 2 353.422 3.635 50 5 FHBALO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000095443286 571329704 /nfs/dbraw/zinc/32/97/04/571329704.db2.gz DDPAWBKHOAAMGH-UHFFFAOYSA-N 1 2 353.422 3.635 50 5 FHBALO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000058417338 221118677 /nfs/dbraw/zinc/11/86/77/221118677.db2.gz QVGXHEPNYLFECA-UHFFFAOYSA-N 1 2 363.801 3.541 50 5 FHBALO Cc1c(Cl)cccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000001385557 571056035 /nfs/dbraw/zinc/05/60/35/571056035.db2.gz AISMNTAABLIGTD-UHFFFAOYSA-N 1 2 356.769 3.995 50 5 FHBALO Cc1nc(CCNc2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)cs1 ZINC000065479887 221224545 /nfs/dbraw/zinc/22/45/45/221224545.db2.gz UVEKZCLMZVGEGJ-UHFFFAOYSA-N 1 2 355.423 3.780 50 5 FHBALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000025263855 571142052 /nfs/dbraw/zinc/14/20/52/571142052.db2.gz DHTWFSOSNVMIGZ-UHFFFAOYSA-N 1 2 356.769 3.745 50 5 FHBALO CCCCc1[nH+]c2ccccc2n1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711565 571194236 /nfs/dbraw/zinc/19/42/36/571194236.db2.gz CBRCRVGPWIRJBX-INIZCTEOSA-N 1 2 369.421 3.727 50 5 FHBALO O=C(C[NH+]1CCCCCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000016484828 220184841 /nfs/dbraw/zinc/18/48/41/220184841.db2.gz ABSCQWOCLOCSDF-UHFFFAOYSA-N 1 2 370.247 3.562 50 5 FHBALO Cc1cccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000012793484 220030094 /nfs/dbraw/zinc/03/00/94/220030094.db2.gz YEVYKWFAIBLHRT-GFCCVEGCSA-N 1 2 374.466 3.844 50 5 FHBALO Cc1cccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000012793484 220030097 /nfs/dbraw/zinc/03/00/97/220030097.db2.gz YEVYKWFAIBLHRT-GFCCVEGCSA-N 1 2 374.466 3.844 50 5 FHBALO Cc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)ccc1[N+](=O)[O-] ZINC000014526925 220126313 /nfs/dbraw/zinc/12/63/13/220126313.db2.gz SOGPMJQWVQCFIC-UHFFFAOYSA-N 1 2 374.466 3.844 50 5 FHBALO Cc1cc(NCCc2cn3ccccc3[nH+]2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048247961 221002641 /nfs/dbraw/zinc/00/26/41/221002641.db2.gz UNGAGDOQVOZRHH-UHFFFAOYSA-N 1 2 374.404 3.663 50 5 FHBALO COc1ccccc1N1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000055543710 132303452 /nfs/dbraw/zinc/30/34/52/132303452.db2.gz XPNSISWFSXFHDS-UHFFFAOYSA-N 1 2 361.829 3.579 50 5 FHBALO COc1ccccc1N1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000055543043 136126819 /nfs/dbraw/zinc/12/68/19/136126819.db2.gz CJEGRVQDNULVBP-UHFFFAOYSA-N 1 2 361.829 3.579 50 5 FHBALO C[C@H](c1ccccn1)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000089909913 526124475 /nfs/dbraw/zinc/12/44/75/526124475.db2.gz IVJAAVXJRVITIJ-CYBMUJFWSA-N 1 2 365.393 3.765 50 5 FHBALO C[C@H](c1ccccn1)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000089909913 526124486 /nfs/dbraw/zinc/12/44/86/526124486.db2.gz IVJAAVXJRVITIJ-CYBMUJFWSA-N 1 2 365.393 3.765 50 5 FHBALO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000328595356 526419168 /nfs/dbraw/zinc/41/91/68/526419168.db2.gz SDSODTUXQVIDIB-ISQHREMWSA-N 1 2 373.453 3.549 50 5 FHBALO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000328595356 526419171 /nfs/dbraw/zinc/41/91/71/526419171.db2.gz SDSODTUXQVIDIB-ISQHREMWSA-N 1 2 373.453 3.549 50 5 FHBALO O=Cc1ccc(N2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000009219793 571101596 /nfs/dbraw/zinc/10/15/96/571101596.db2.gz KIABCWDTZNPYSK-AWEZNQCLSA-N 1 2 350.378 3.668 50 5 FHBALO Cc1c(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cccc1[N+](=O)[O-] ZINC000012916358 571144356 /nfs/dbraw/zinc/14/43/56/571144356.db2.gz NNXQMAIEAAZHJJ-GFCCVEGCSA-N 1 2 374.466 3.844 50 5 FHBALO Cc1c(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cccc1[N+](=O)[O-] ZINC000012916358 571144359 /nfs/dbraw/zinc/14/43/59/571144359.db2.gz NNXQMAIEAAZHJJ-GFCCVEGCSA-N 1 2 374.466 3.844 50 5 FHBALO O=[N+]([O-])c1ccc(Nc2ccc(N3CCc4sccc4C3)[nH+]c2)nc1 ZINC000012537424 571176288 /nfs/dbraw/zinc/17/62/88/571176288.db2.gz CKGXTCIASDHHOX-UHFFFAOYSA-N 1 2 353.407 3.753 50 5 FHBALO O=C(N[C@H]1CCCc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000006315872 571177347 /nfs/dbraw/zinc/17/73/47/571177347.db2.gz UFXSJJPFLXUQGK-KRWDZBQOSA-N 1 2 362.389 3.588 50 5 FHBALO O=C(NC1(c2ccccc2)CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000053473073 221045688 /nfs/dbraw/zinc/04/56/88/221045688.db2.gz YARBTIVFLGCYHO-UHFFFAOYSA-N 1 2 362.389 3.590 50 5 FHBALO CC[N@H+](CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000098004011 222219654 /nfs/dbraw/zinc/21/96/54/222219654.db2.gz IPIQIQUXXWMLLI-SEYXRHQNSA-N 1 2 353.422 3.641 50 5 FHBALO CC[N@@H+](CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000098004011 222219658 /nfs/dbraw/zinc/21/96/58/222219658.db2.gz IPIQIQUXXWMLLI-SEYXRHQNSA-N 1 2 353.422 3.641 50 5 FHBALO Cc1ccc(OCCOCCn2c[nH+]c3cc(C)c(C)cc32)c([N+](=O)[O-])c1 ZINC000008708004 571056236 /nfs/dbraw/zinc/05/62/36/571056236.db2.gz ZJTRNOAGWRVGKW-UHFFFAOYSA-N 1 2 369.421 3.965 50 5 FHBALO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000021579996 571335132 /nfs/dbraw/zinc/33/51/32/571335132.db2.gz UEOXHLPZSDGCCL-UHFFFAOYSA-N 1 2 361.829 3.579 50 5 FHBALO O=[N+]([O-])c1cccc(-c2noc(CSc3[nH+]cc4ccccn43)n2)c1 ZINC000031844377 571354027 /nfs/dbraw/zinc/35/40/27/571354027.db2.gz DEPJZVJOZGJYKG-UHFFFAOYSA-N 1 2 353.363 3.585 50 5 FHBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000016685383 220191203 /nfs/dbraw/zinc/19/12/03/220191203.db2.gz ZUNKPEVBEFIOPG-STQMWFEESA-N 1 2 352.394 3.585 50 5 FHBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000016685383 220191204 /nfs/dbraw/zinc/19/12/04/220191204.db2.gz ZUNKPEVBEFIOPG-STQMWFEESA-N 1 2 352.394 3.585 50 5 FHBALO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1F ZINC000057554006 221091625 /nfs/dbraw/zinc/09/16/25/221091625.db2.gz VREURNHZXBLSMY-SNVBAGLBSA-N 1 2 350.321 3.590 50 5 FHBALO C[N@@H+]1/C(=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2CC1(C)C ZINC000100707898 222250095 /nfs/dbraw/zinc/25/00/95/222250095.db2.gz YCMLAANXRPQMBV-LDADJPATSA-N 1 2 351.406 3.841 50 5 FHBALO C[N@H+]1/C(=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2CC1(C)C ZINC000100707898 222250098 /nfs/dbraw/zinc/25/00/98/222250098.db2.gz YCMLAANXRPQMBV-LDADJPATSA-N 1 2 351.406 3.841 50 5 FHBALO O=[N+]([O-])c1cc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)ccc1O ZINC000247324510 527328578 /nfs/dbraw/zinc/32/85/78/527328578.db2.gz NBBNVPBSDZBGFS-YLJYHZDGSA-N 1 2 359.470 3.529 50 5 FHBALO O=[N+]([O-])c1cc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)ccc1O ZINC000247324510 527328583 /nfs/dbraw/zinc/32/85/83/527328583.db2.gz NBBNVPBSDZBGFS-YLJYHZDGSA-N 1 2 359.470 3.529 50 5 FHBALO COc1cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc([N+](=O)[O-])c1O ZINC000004986759 570571321 /nfs/dbraw/zinc/57/13/21/570571321.db2.gz NNXLXPRDPFNKSS-UHFFFAOYSA-N 1 2 358.369 3.737 50 5 FHBALO COc1cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc([N+](=O)[O-])c1O ZINC000004986759 570571325 /nfs/dbraw/zinc/57/13/25/570571325.db2.gz NNXLXPRDPFNKSS-UHFFFAOYSA-N 1 2 358.369 3.737 50 5 FHBALO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000024574331 570859680 /nfs/dbraw/zinc/85/96/80/570859680.db2.gz CGXFPBACTDKFLX-UHFFFAOYSA-N 1 2 354.435 3.527 50 5 FHBALO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025931533 571075152 /nfs/dbraw/zinc/07/51/52/571075152.db2.gz FJEFAHXHJATZHF-GFCCVEGCSA-N 1 2 356.357 3.977 50 5 FHBALO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025931533 571075154 /nfs/dbraw/zinc/07/51/54/571075154.db2.gz FJEFAHXHJATZHF-GFCCVEGCSA-N 1 2 356.357 3.977 50 5 FHBALO COc1ccc(NC(=O)[C@@H](c2ccc([N+](=O)[O-])cc2)[NH+]2CCCCC2)cc1 ZINC000075251863 571158192 /nfs/dbraw/zinc/15/81/92/571158192.db2.gz ACJNRSVFMXJSPI-LJQANCHMSA-N 1 2 369.421 3.769 50 5 FHBALO